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Hai Ethayathulla
As far as I know, the autoindexing (and corresponding MOSFLM scripts)
provided by LABELIT do this automatically.
For each point group a trial merging is done as well which aids in the
determination of the correct point group.
Check
http://adder.lbl.gov/labelit/
I would not be surprised if pointless has the same capabilities.
I suspect that if you have twinning in P21 as described by the paper you
cited, it is indeed advantagous to try all options for refinement /
structure solution in all likely spacegroups/twin law combinations.
What are your (current) cell parameters again?
Cheers
Peter
Raji Edayathumangalam wrote:
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You don't list which axis corresponds to the non-90 angle.
In any case, reindexing is done using the 'hkl matrix' command in
Scalepack.
Please read the 9 different examples (under Scenario 5) in the
Scalepack section of the manual.
Raji
Ethayathulla Abdulsamath wrote:
hi
I have a query in processing a data I want to interchage b-axis
process the data in Monoclinic system.
I have refered one article in Acta D. but don't know how to do in DENZO.
These are reported parameters in the article (Acta Cryst. (2002).
D58, 2055-2059.)
cell parameters R-merge
Monoclinic a=37.5, b= 108.6, c= 111.4 8.3
Monoclinic a=108.6, b= 37.5, c= 111.4 13.6
Monoclinic a=37.5, b= 111.3, c= 111.4 14.1
My question is how do we process the data by changing b-axis unique
using DENZO
Thanking you
Ethayathulla
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A.S.Ethayathulla,Ph.D.
Department of Biophysics
All India Institute of Medical Sciences
Ansari Nagar
New Delhi-110029
India.
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